2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide

C19H22Cl2N2O3S — CID 126270307

IUPAC2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-14(2)10-11-22-19(24)13-23(18-9-8-15(20)12-17(18)21)27(25,26)16-6-4-3-5-7-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyPCTVGUZKHHQFMB-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.35
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide (PubChem CID 126270307) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
PubChem CID126270307
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-14(2)10-11-22-19(24)13-23(18-9-8-15(20)12-17(18)21)27(25,26)16-6-4-3-5-7-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyPCTVGUZKHHQFMB-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide
CID 21372651
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 126275595
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30209855
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30209868
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 21380315
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutyl)acetamide
CID 21372573
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30209863
3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113146504
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
CID 126415552
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide
CID 2221414
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(2,6-difluorophenyl)acetamide
CID 126331811
2-[[2-[N-(benzenesulfonyl)-2,4-dichloroanilino]acetyl]-benzylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133211967

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide (CID 126270307) is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide?
The InChIKey is PCTVGUZKHHQFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-14(2)10-11-22-19(24)13-23(18-9-8-15(20)12-17(18)21)27(25,26)16-6-4-3-5-7-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide?
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide has a molecular weight of 429.37 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 126270307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).